2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Formula: C18H22N4O6S2 MolecularWeight: 454.52048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N4O6S2/c1-20-14-7-6-13(22(25)26)10-15(14)29-18(20)19-16(23)11-30(27,28)12-17(24)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9,11-12H2,1H3